SCHEMBL6314113

SCHEMBL6314113

O=C1NC(=O)c2cc(OC(C(=O)O)c3ccc4c(c3)OCO4)ccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
EDNRA P25101 1/20 0.43
MAPK9 P45984 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8649166 0.88 EDNRA (0.55) KMT2AEDNRAMEN1PTGS2ALDH1A1
SCHEMBL8791812 0.80 EDNRA (0.55) KMT2AEDNRAMAPK9MAOBPTGS1
SCHEMBL6315909 0.79 EDNRA (0.57) EDNRA
SCHEMBL795156 0.77 KMT2A (0.38) KMT2AEDNRAMEN1ALDH1A1MAPT
SCHEMBL6313692 0.77 EDNRB (0.48) EDNRA
SCHEMBL7333442 0.75 KMT2A (0.56) KMT2AEDNRAMEN1ALDH1A1MAPT
SCHEMBL2346146 0.73 KMT2A (0.56) KMT2AEDNRAMAPK9MEN1PTGS1
SCHEMBL3694992 0.70 KDM4E (0.43) KMT2AEDNRAMEN1PTGS1PTGS2
SCHEMBL11459800 0.68 MAPK9 (0.57) KMT2AEDNRAMAPK9MEN1PTGS1
SCHEMBL7333600 0.67 EDNRA (0.47) KMT2AEDNRAMAPK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US claimed
US-5821256-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 US claimed
EP-0758650-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-19 EP claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
US-5821256-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 US disclosed
EP-0758650-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 KMT2A 3059/4885EDNRA 1/4885MAPK9 4392/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.